N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine

C11H19N3S2 — CID 115676041

IUPACN,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CNC2CCCSC2)s1
InChIInChI=1S/C11H19N3S2/c1-14(2)11-13-7-10(16-11)6-12-9-4-3-5-15-8-9/h7,9,12H,3-6,8H2,1-2H3
InChIKeySZNFNXLNKYBLKU-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.19
Rot. Bonds4

About N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine

N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 115676041) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID115676041
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC NameN,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CNC2CCCSC2)s1
InChIInChI=1S/C11H19N3S2/c1-14(2)11-13-7-10(16-11)6-12-9-4-3-5-15-8-9/h7,9,12H,3-6,8H2,1-2H3
InChIKeySZNFNXLNKYBLKU-UHFFFAOYSA-N
XLogP2.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 103701514
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115690277
5-[(2-cyclopropylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115656457
N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 115587078
5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62754267
N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62751271
N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine
CID 53498601
5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753772
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62749687
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 61037566
5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62749892

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine (CID 115676041) is N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine is CN(C)c1ncc(CNC2CCCSC2)s1.
What is the InChIKey of N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is SZNFNXLNKYBLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-14(2)11-13-7-10(16-11)6-12-9-4-3-5-15-8-9/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 257.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115676041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).